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Ontologies
CHEBI
Chemical Entities of Biological Interest Ontology
(CHEBI)
OBO
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Last submission date May 11, 2023
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ID
http://purl.obolibrary.org/obo/CHEBI_165221
http://purl.obolibrary.org/obo/CHEBI_165221
https://biodivportal.gfbio.org/ontologies/CHEBI/CHEBI_165221
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Preferred name
O-Desmethyltramadol
Synonyms
3-[(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]phenol
Raw data
oboinowl_gen:inSubset
http://purl.obolibrary.org/obo/chebi#2_STAR
obo_purl:smiles
O[C@]1([C@H](CCCC1)CN(C)C)C2=CC(O)=CC=C2
obo_purl:charge
0
obo_purl:inchikey
UWJUQVWARXYRCG-HIFRSBDPSA-N
oboinowl_gen:hasDbXref
Chemspider:8014523
CAS:80456-81-1
HMDB:HMDB0060997
skos:notation
CHEBI:165221
oboinowl_gen:hasExactSynonym
3-[(1R,2R)-2-[(dimethylamino)methyl]-1-hydroxycyclohexyl]phenol
obo_purl:mass
249.354
obo_purl:inchi
InChI=1S/C15H23NO2/c1-16(2)11-13-6-3-4-9-15(13,18)12-7-5-8-14(17)10-12/h5,7-8,10,13,17-18H,3-4,6,9,11H2,1-2H3/t13-,15+/m1/s1
obo_purl:formula
C15H23NO2
oboinowl_gen:hasOBONamespace
chebi_ontology
rdf:type
http://www.w3.org/2002/07/owl#Class
oboinowl_gen:id
CHEBI:165221
rdfs:label
O-Desmethyltramadol
obo_purl:monoisotopicmass
249.17288
rdfs:subClassOf
http://purl.obolibrary.org/obo/CHEBI_36820
http://purl.obolibrary.org/obo/CHEBI_38976
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